N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide

C14H21ClN2O2 — CID 43274945

IUPACN-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
SMILESCCCCCOC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O2/c1-3-4-5-8-19-10(2)14(18)17-13-9-11(15)6-7-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyZWFHRVCSDYCDGT-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.46
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide

N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide (PubChem CID 43274945) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
PubChem CID43274945
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
SMILESCCCCCOC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O2/c1-3-4-5-8-19-10(2)14(18)17-13-9-11(15)6-7-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyZWFHRVCSDYCDGT-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
CID 54936288
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-4-chlorophenyl)-2-(4,4,4-trifluorobutoxy)propanamide
CID 82780960
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide (CID 43274945) is N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide is CCCCCOC(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide?
The InChIKey is ZWFHRVCSDYCDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-4-5-8-19-10(2)14(18)17-13-9-11(15)6-7-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide?
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide has a molecular weight of 284.79 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide is sourced from PubChem (CID 43274945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).